Glycoside
...
GD021327

Name:
None

Formula:
C23H31O4N6ClS

Smiles:
C[C@]1(O)[C@H](O)[C@H](COC(=S)NC2CCCC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21

Aglycone:
COC(=S)NC1CCCC1.Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 4 FractionCSP3: 0.73
AlogP: 2.68 Num_rotatable_bonds: 6
MolWt: 511.05 Num_heavy_atoms: 34
TPSA: 126.58 NumAromaticRings: 2

Unique Aglycone
AD00055
Formula: C11H11N5Cl

Smiles:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2
HBA: 5 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 2.39 Num_rotatable_bonds: 2
MolWt: 236.69 Num_heavy_atoms: 16
TPSA: 64.27 NumAromaticRings: 1
AD14601
Formula: C7H13ONS

Smiles:
COC(=S)NC1CCCC1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.86
AlogP: 1.45 Num_rotatable_bonds: 1
MolWt: 159.25 Num_heavy_atoms: 10
TPSA: 21.26 NumAromaticRings: 0

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O